SCHEMBL30834730

SCHEMBL30834730

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.58
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MMP9 P14780 2/20 0.55
▸ MMP8 P22894 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ECE1 P42892 7/20 0.54
▸ P2RY14 Q15391 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ MME P08473 1/20 0.53
▸ GHSR Q92847 1/20 0.53
▸ MMP1 P03956 1/20 0.52
▸ MMP3 P08254 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30051401 0.93 ACE (0.59) ACEPOLBKDM4EAPAF1MAPT
SCHEMBL30051105 0.90 ACE (0.56) ACEPOLBKDM4EAPAF1MAPT
SCHEMBL29493334 0.89 ACE (0.61) ACEPOLBKDM4EAPAF1MAPT
SCHEMBL9822619 0.89 ACE (0.61) ACEPOLBKDM4EAPAF1MAPT
SCHEMBL30567428 0.88 ACE (0.61) ACEPOLBKDM4EAPAF1MAPT
SCHEMBL30051742 0.87 ACE (0.68) ACEECE1P2RY14ALOX15
SCHEMBL9141706 0.87 MAGI3 (0.69) ACEL3MBTL1MMP9MMP8KMT2A
SCHEMBL9114908 0.87 MAGI3 (0.69) ACEL3MBTL1MMP9MMP8KMT2A
SCHEMBL9141715 0.87 MAGI3 (0.69) ACEL3MBTL1MMP9MMP8KMT2A
SCHEMBL9114918 0.87 MAGI3 (0.69) ACEL3MBTL1MMP9MMP8KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240091375-A1 AN ANTIBODY FRAGMENT BASED ANTIMICROBIAL CONJUGATE SELECTIVELY TARGETING PSEUDOMONAS ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 — — US disclosed
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